(E)-but-2-enedioic acid; N4-(5-dodecoxy-6-methoxy-4-methyl-quinolin-8-yl)pentane-1,4-diamine

Systemtic Name: (E)-but-2-enedioic acid; N4-(5-dodecoxy-6-methoxy-4-methyl-quinolin-8-yl)pentane-1,4-diamine Openeye Name: N4-(5-dodecoxy-6-methoxy-4-methyl-8-quinolyl)pentane-1,4-diamine; fumaric acid CAS Name: (E)-2-butenedioic acid; N4-(5-dodecoxy-6-methoxy-4-methyl-8-quinolinyl)pentane-1,4-diamine IUPAC Name: (E)-but-2-enedioic acid; 4-N-(5-dodecoxy-6-methoxy-4-methylquinolin-8-yl)pentane-1,4-diamine Traditional Name: (4-amino-1-methyl-butyl)-(5-lauryloxy-6-methoxy-4-methyl-8-quinolyl)amine; fumaric acid Formula: C32H51N3O6 MolecularWeight: 573.76384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C2=NC=CC(=C12)C)NC(C)CCCN)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C2=NC=CC(=C12)C)NC(C)CCCN)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C28H47N3O2.C4H4O4/c1-5-6-7-8-9-10-11-12-13-14-20-33-28-25(32-4)21-24(31-23(3)16-15-18-29)27-26(28)22(2)17-19-30-27;5-3(6)1-2-4(7)8/h17,19,21,23,31H,5-16,18,20,29H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+